Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STAT3 | P40763 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
| ▸ | FDPS | P14324 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL15692 | 0.77 | CCNB2 (0.40) | HSD17B10HPGDHTTNPSR1MAPT | |
| 9-Benzyl-9H-Purine SCHEMBL434620 | 0.76 | HDAC1 (0.61) | HDAC1HDAC6HSD17B10FDPSLTA4H | |
| SCHEMBL526066 | 0.73 | ADORA2A (0.62) | HSD17B10HPGDHTTLMNASMN1; SMN2 | |
| SCHEMBL10857669 | 0.73 | FDPS (0.54) | HDAC1HDAC6HSD17B10FDPSLTA4H | |
| SCHEMBL6948681 | 0.72 | HDAC1 (0.46) | HDAC1HDAC6HPGDFDPSLTA4H | |
| SCHEMBL6942099 | 0.72 | MKNK2 (0.40) | HDAC1HDAC6HSD17B10FDPSLTA4H | |
| SCHEMBL27932506 | 0.72 | FDPS (0.53) | HDAC1HDAC6HSD17B10FDPSLTA4H | |
| SCHEMBL10442248 | 0.71 | PDE4A (0.54) | HDAC1HDAC6FDPSLTA4HMEN1 | |
| SCHEMBL5493573 | 0.71 | HDAC6 (0.50) | HDAC1HDAC6HSD17B10FDPSLTA4H | |
| SCHEMBL6944736 | 0.71 | HDAC1 (0.62) | HDAC1HDAC6FDPSLTA4HHTT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |